# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.39859472
_cell_length_b   12.68386667
_cell_length_c   47.05055821
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2C
_chemical_formula_sum   'Fe48 C24'
_cell_volume   1431.44056893
_cell_formula_units_Z   24
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Fe  Fe1  1  0.494117  0.461414  0.277769  1
  Fe  Fe2  1  0.494117  0.005306  0.315816  1
  Fe  Fe3  1  0.494117  0.670846  0.282873  1
  Fe  Fe4  1  0.494117  0.405681  0.323491  1
  Fe  Fe5  1  0.494117  0.156260  0.283746  1
  Fe  Fe6  1  0.494117  0.854502  0.287596  1
  Fe  Fe7  1  0.494117  0.234230  0.328485  1
  Fe  Fe8  1  0.494117  0.795354  0.370107  1
  Fe  Fe9  1  0.494117  0.537832  0.353414  1
  Fe  Fe10  1  0.494117  0.228029  0.375658  1
  Fe  Fe11  1  0.494117  0.953006  0.360262  1
  Fe  Fe12  1  0.494117  0.695046  0.331842  1
  Fe  Fe13  1  0.494117  0.069047  0.390502  1
  Fe  Fe14  1  0.494117  0.608359  0.426267  1
  Fe  Fe15  1  0.494117  0.339214  0.407396  1
  Fe  Fe16  1  0.494117  0.030484  0.431968  1
  Fe  Fe17  1  0.494117  0.761837  0.413967  1
  Fe  Fe18  1  0.494117  0.493905  0.395981  1
  Fe  Fe19  1  0.494117  0.876981  0.444123  1
  Fe  Fe20  1  0.494117  0.415676  0.479777  1
  Fe  Fe21  1  0.494117  0.146519  0.461608  1
  Fe  Fe22  1  0.494117  0.838820  0.486449  1
  Fe  Fe23  1  0.494117  0.569679  0.468127  1
  Fe  Fe24  1  0.494117  0.300378  0.449598  1
  Fe  Fe25  1  0.494117  0.685033  0.498366  1
  Fe  Fe26  1  0.494117  0.223266  0.533985  1
  Fe  Fe27  1  0.494117  0.954857  0.516169  1
  Fe  Fe28  1  0.494117  0.646157  0.540512  1
  Fe  Fe29  1  0.494117  0.376928  0.521607  1
  Fe  Fe30  1  0.494117  0.108204  0.503966  1
  Fe  Fe31  1  0.494117  0.491431  0.551866  1
  Fe  Fe32  1  0.494117  0.032694  0.588107  1
  Fe  Fe33  1  0.494117  0.757805  0.572335  1
  Fe  Fe34  1  0.494117  0.447789  0.593973  1
  Fe  Fe35  1  0.494117  0.189945  0.578017  1
  Fe  Fe36  1  0.494117  0.916461  0.557688  1
  Fe  Fe37  1  0.494117  0.291631  0.615912  1
  Fe  Fe38  1  0.494117  0.827390  0.663927  1
  Fe  Fe39  1  0.494117  0.578035  0.624335  1
  Fe  Fe40  1  0.494117  0.320481  0.663329  1
  Fe  Fe41  1  0.494117  0.980423  0.632736  1
  Fe  Fe42  1  0.494117  0.750450  0.619396  1
  Fe  Fe43  1  0.494117  0.132609  0.660972  1
  Fe  Fe44  1  0.494117  0.687082  0.698476  1
  Fe  Fe45  1  0.494117  0.371200  0.710145  1
  Fe  Fe46  1  0.494117  0.072812  0.708094  1
  Fe  Fe47  1  0.494117  0.892084  0.708878  1
  Fe  Fe48  1  0.494117  0.522633  0.670749  1
  C  C49  1  0.494117  0.556432  0.311564  1
  C  C50  1  0.494117  0.311492  0.291460  1
  C  C51  1  0.494117  1.003302  0.273570  1
  C  C52  1  0.494117  0.382058  0.365563  1
  C  C53  1  0.494117  0.103631  0.349218  1
  C  C54  1  0.494117  0.852244  0.329735  1
  C  C55  1  0.494117  0.185829  0.419271  1
  C  C56  1  0.494117  0.913721  0.401756  1
  C  C57  1  0.494117  0.646729  0.384297  1
  C  C58  1  0.494117  0.992640  0.474051  1
  C  C59  1  0.494117  0.723671  0.456246  1
  C  C60  1  0.494117  0.454248  0.437833  1
  C  C61  1  0.494117  0.799640  0.528798  1
  C  C62  1  0.494117  0.531113  0.510055  1
  C  C63  1  0.494117  0.261593  0.491721  1
  C  C64  1  0.494117  0.603587  0.582289  1
  C  C65  1  0.494117  0.338281  0.563477  1
  C  C66  1  0.494117  0.071624  0.546446  1
  C  C67  1  0.494117  0.432466  0.635792  1
  C  C68  1  0.494117  0.133706  0.618578  1
  C  C69  1  0.494117  0.881861  0.599025  1
  C  C70  1  0.494117  0.222576  0.696031  1
  C  C71  1  0.494117  0.981090  0.673615  1
  C  C72  1  0.494117  0.672141  0.656381  1
